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5WMD
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BU of 5wmd by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4
著者Zhang, Y.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMA
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BU of 5wma by Molmil
N-terminal bromodomain of BRD4 in complex with PLX5981
分子名称: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4
著者Zhang, Y.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
371D
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BU of 371d by Molmil
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
分子名称: DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3')
著者Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L.
登録日1997-12-19
公開日1998-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
370D
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BU of 370d by Molmil
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
分子名称: DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3'), MAGNESIUM ION
著者Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L.
登録日1997-12-19
公開日1998-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
369D
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BU of 369d by Molmil
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
分子名称: DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3')
著者Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L.
登録日1997-12-19
公開日1998-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2016-04-17
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
372D
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BU of 372d by Molmil
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
分子名称: DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3')
著者Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L.
登録日1997-12-19
公開日1998-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
1KR8
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BU of 1kr8 by Molmil
Refinement of d(GCGAAGC) Hairpin Structure Using One-and Two-Bonds Residual Dipolar Couplings
分子名称: 5'-D(*GP*CP*GP*AP*AP*GP*C)-3'
著者Padrta, P, Stefl, R, Zidek, L, Sklenar, V.
登録日2002-01-09
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-Bond Residual Dipolar Couplings
J.BIOMOL.NMR, 24, 2002
4KBS
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BU of 4kbs by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 phosphatidic acid (12:0 PA)
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4KF6
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BU of 4kf6 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P)
分子名称: (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-26
公開日2013-07-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.195 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-07-29
公開日2021-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
8QFZ
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BU of 8qfz by Molmil
TSLP-Bicycle complex
分子名称: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin
著者Petersen, J.
登録日2023-09-05
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
4KBR
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BU of 4kbr by Molmil
Crystal structure of mouse Ceramide-1-phosphate transfer protein (apo-form)
分子名称: Glycolipid transfer protein domain-containing protein 1, PHOSPHATE ION
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
分子名称: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
3I6M
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BU of 3i6m by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine
分子名称: (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
4K85
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Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P)
分子名称: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K8N
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Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P)
分子名称: (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-18
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
3I6Z
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3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
著者Lamba, D, Bartolucci, C.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
4K80
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Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
3KV0
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BU of 3kv0 by Molmil
Crystal structure of HET-C2: A FUNGAL GLYCOLIPID TRANSFER PROTEIN (GLTP)
分子名称: HET-C2
著者Simanshu, D.K, Kenoth, R, Brown, R.E, Patel, D.J.
登録日2009-11-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural determination and tryptophan fluorescence of heterokaryon incompatibility C2 protein (HET-C2), a fungal glycolipid transfer protein (GLTP), provide novel insights into glycolipid specificity and membrane interaction by the GLTP fold.
J.Biol.Chem., 285, 2010
1UOV
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BU of 1uov by Molmil
Calcium binding domain C2B
分子名称: CALCIUM ION, GLYCEROL, SYNAPTOTAGMIN I
著者Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
登録日2003-09-24
公開日2004-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
1UOW
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Calcium binding domain C2B
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J.
登録日2003-09-24
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
1PQT
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BU of 1pqt by Molmil
REFINEMENT OF d(GCGAAGC) HAIRPIN STRUCTURE USING ONE- AND TWO-BOND RESIDUAL DIPOLAR COUPLINGS
分子名称: 5'-D(*GP*CP*GP*AP*AP*GP*C)-3'
著者Padrta, P, Stefl, R, Zidek, L, Sklenar, V.
登録日2003-06-19
公開日2003-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-Bond Residual Dipolar Couplings
J.Biomol.NMR, 24, 2002
2H1M
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BU of 2h1m by Molmil
Synthesis, Oxidation Behavior, Crystallization and Structure of 2'-Methylseleno Guanosine Containing RNAs
分子名称: 5'-R(*GP*CP*AP*(XUG)P*AP*GP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', SULFATE ION
著者Serganov, A.A.
登録日2006-05-16
公開日2006-07-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis, Oxidation Behavior, Crystallization and Structure of 2'-Methylseleno Guanosine Containing RNAs.
J.Am.Chem.Soc., 128, 2006
7A0S
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BU of 7a0s by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
登録日2020-08-10
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021

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